Compound Identification
SMILES
CC(C)C1=C(C=C2CC(C)(C)OC2=C1CCC1CC(O)CC(=O)O1)[N+]([O-])=O
InChIKey
InChIKey=JRUZQRFBXJAMCA-UHFFFAOYSA-N
Formula
C20H27NO6
Mass
377.437
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Coumarans Nitroaromatic compounds Alkyl aryl ethers Delta valerolactones Oxanes Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cumene - Coumaran - Nitroaromatic compound - Alkyl aryl ether - Delta valerolactone - Delta_valerolactone - Oxane - Carboxylic acid ester - Lactone - C-nitro compound - Secondary alcohol - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Monocarboxylic acid or derivatives - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available